1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone

C17H18N4O3 — CID 17067599

IUPAC1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
SMILESCOc1ccc(-c2c(C)nn3c(C)c(C(C)=O)nnc23)cc1OC
InChIInChI=1S/C17H18N4O3/c1-9-15(12-6-7-13(23-4)14(8-12)24-5)17-19-18-16(11(3)22)10(2)21(17)20-9/h6-8H,1-5H3
InChIKeyACFWSAXXOWRYAO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.63
Rot. Bonds4

About 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone

1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone (PubChem CID 17067599) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
PubChem CID17067599
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone
SMILESCOc1ccc(-c2c(C)nn3c(C)c(C(C)=O)nnc23)cc1OC
InChIInChI=1S/C17H18N4O3/c1-9-15(12-6-7-13(23-4)14(8-12)24-5)17-19-18-16(11(3)22)10(2)21(17)20-9/h6-8H,1-5H3
InChIKeyACFWSAXXOWRYAO-UHFFFAOYSA-N
XLogP2.63
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
The IUPAC name of 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone (CID 17067599) is 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone.
What is the SMILES notation for 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
The canonical SMILES for 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone is COc1ccc(-c2c(C)nn3c(C)c(C(C)=O)nnc23)cc1OC.
What is the InChIKey of 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
The InChIKey is ACFWSAXXOWRYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-9-15(12-6-7-13(23-4)14(8-12)24-5)17-19-18-16(11(3)22)10(2)21(17)20-9/h6-8H,1-5H3.
What are the key properties of 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone?
1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone has a molecular weight of 326.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl]ethanone is sourced from PubChem (CID 17067599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).